CAS Registry Number: 28314-82-1

Name:

Benzoic acid, 4-​bromo-​2,​5-​difluoro-
4-​Bromo-​2,​5-​difluorobenzoic acid 

Chemical Formula: C7H3BrF2O2
Exact Mass: 235.93
Molecular Weight: 237.00
m/z: 235.93 (100.0%), 237.93 (97.7%), 236.93 (7.7%), 238.93 (7.5%)
Elemental Analysis: C, 35.47; H, 1.28; Br, 33.72; F, 16.03; O, 13.50

InChI: InChI=1S/C7H3BrF2O2/c8-4-2-5(9)3(7(11)12)1-6(4)10/h1-2H,(H,11,12)
InChIKey: YWZSTHLOAZTDFJ-UHFFFAOYSA-N
Canonical SMILES : C1=C(C(=CC(=C1F)Br)F)C(=O)O

Specification

98%

PCT Int. Appl. (2014), WO 2014117274 A1 20140807.          

PCT Int. Appl. (2014), WO 2014113485 A1 20140724.